5-[(3R)-3-[(5-chloropyridine-3-carbonyl)amino]piperidin-1-yl]-3-[4-(1-cyclopropylpiperidin-4-yl)anilino]pyrazine-2-carboxamide

C30H35ClN8O2 — CID 118115281

IUPAC5-[(3R)-3-[(5-chloropyridine-3-carbonyl)amino]piperidin-1-yl]-3-[4-(1-cyclopropylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
SMILESNC(=O)c1ncc(N2CCC[C@@H](NC(=O)c3cncc(Cl)c3)C2)nc1Nc1ccc(C2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C30H35ClN8O2/c31-22-14-21(15-33-16-22)30(41)36-24-2-1-11-39(18-24)26-17-34-27(28(32)40)29(37-26)35-23-5-3-19(4-6-23)20-9-12-38(13-10-20)25-7-8-25/h3-6,14-17,20,24-25H,1-2,7-13,18H2,(H2,32,40)(H,35,37)(H,36,41)/t24-/m1/s1
InChIKeyLUJIAEVVGLFMBH-XMMPIXPASA-N
MW575.12 g/mol
LogP4.11
Rot. Bonds8

About 5-[(3R)-3-[(5-chloropyridine-3-carbonyl)amino]piperidin-1-yl]-3-[4-(1-cyclopropylpiperidin-4-yl)anilino]pyrazine-2-carboxamide

5-[(3R)-3-[(5-chloropyridine-3-carbonyl)amino]piperidin-1-yl]-3-[4-(1-cyclopropylpiperidin-4-yl)anilino]pyrazine-2-carboxamide (PubChem CID 118115281) has the molecular formula C30H35ClN8O2 and a molecular weight of 575.12 g/mol. Its IUPAC name is 5-[(3R)-3-[(5-chloropyridine-3-carbonyl)amino]piperidin-1-yl]-3-[4-(1-cyclopropylpiperidin-4-yl)anilino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3R)-3-[(5-chloropyridine-3-carbonyl)amino]piperidin-1-yl]-3-[4-(1-cyclopropylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
PubChem CID118115281
Molecular FormulaC30H35ClN8O2
Molecular Weight575.12 g/mol
Exact Mass574.26
IUPAC Name5-[(3R)-3-[(5-chloropyridine-3-carbonyl)amino]piperidin-1-yl]-3-[4-(1-cyclopropylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
SMILESNC(=O)c1ncc(N2CCC[C@@H](NC(=O)c3cncc(Cl)c3)C2)nc1Nc1ccc(C2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C30H35ClN8O2/c31-22-14-21(15-33-16-22)30(41)36-24-2-1-11-39(18-24)26-17-34-27(28(32)40)29(37-26)35-23-5-3-19(4-6-23)20-9-12-38(13-10-20)25-7-8-25/h3-6,14-17,20,24-25H,1-2,7-13,18H2,(H2,32,40)(H,35,37)(H,36,41)/t24-/m1/s1
InChIKeyLUJIAEVVGLFMBH-XMMPIXPASA-N
XLogP4.11
TPSA129.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.12
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[(3R)-3-[(5-chloropyridine-3-carbonyl)amino]piperidin-1-yl]-3-[4-(1-cyclopropylpiperidin-4-yl)anilino]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-[(5-chloropyridine-3-carbonyl)amino]piperidin-1-yl]-3-[4-(1-cyclopropylpiperidin-4-yl)anilino]pyrazine-2-carboxamide?
The IUPAC name of 5-[(3R)-3-[(5-chloropyridine-3-carbonyl)amino]piperidin-1-yl]-3-[4-(1-cyclopropylpiperidin-4-yl)anilino]pyrazine-2-carboxamide (CID 118115281) is 5-[(3R)-3-[(5-chloropyridine-3-carbonyl)amino]piperidin-1-yl]-3-[4-(1-cyclopropylpiperidin-4-yl)anilino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3R)-3-[(5-chloropyridine-3-carbonyl)amino]piperidin-1-yl]-3-[4-(1-cyclopropylpiperidin-4-yl)anilino]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3R)-3-[(5-chloropyridine-3-carbonyl)amino]piperidin-1-yl]-3-[4-(1-cyclopropylpiperidin-4-yl)anilino]pyrazine-2-carboxamide is NC(=O)c1ncc(N2CCC[C@@H](NC(=O)c3cncc(Cl)c3)C2)nc1Nc1ccc(C2CCN(C3CC3)CC2)cc1.
What is the InChIKey of 5-[(3R)-3-[(5-chloropyridine-3-carbonyl)amino]piperidin-1-yl]-3-[4-(1-cyclopropylpiperidin-4-yl)anilino]pyrazine-2-carboxamide?
The InChIKey is LUJIAEVVGLFMBH-XMMPIXPASA-N. The full InChI is InChI=1S/C30H35ClN8O2/c31-22-14-21(15-33-16-22)30(41)36-24-2-1-11-39(18-24)26-17-34-27(28(32)40)29(37-26)35-23-5-3-19(4-6-23)20-9-12-38(13-10-20)25-7-8-25/h3-6,14-17,20,24-25H,1-2,7-13,18H2,(H2,32,40)(H,35,37)(H,36,41)/t24-/m1/s1.
What are the key properties of 5-[(3R)-3-[(5-chloropyridine-3-carbonyl)amino]piperidin-1-yl]-3-[4-(1-cyclopropylpiperidin-4-yl)anilino]pyrazine-2-carboxamide?
5-[(3R)-3-[(5-chloropyridine-3-carbonyl)amino]piperidin-1-yl]-3-[4-(1-cyclopropylpiperidin-4-yl)anilino]pyrazine-2-carboxamide has a molecular weight of 575.12 g/mol, XLogP of 4.11, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-[(5-chloropyridine-3-carbonyl)amino]piperidin-1-yl]-3-[4-(1-cyclopropylpiperidin-4-yl)anilino]pyrazine-2-carboxamide is sourced from PubChem (CID 118115281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).